aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43181 | 3.18 | 330.41 | C17H18O3N2S | O=C(Nc1ccc(S)cc1)c1cccnc1OC1CCOCC1 |
|
AD43182 | 1.29 | 314.41 | C14H22O4N2S | CC(C)(C)OC(=O)NC(Cc1ccsc1)C(=O)NCCO |
|
AD43183 | 2.89 | 293.39 | C15H19O3NS | COC(=O)C1CCCCC1C(=O)Nc1ccc(S)cc1 |
|
AD43184 | 2.46 | 315.4 | C16H17O2N3S | O=C(Nc1ccc(S)cc1)c1cc(N2CCOCC2)ccn1 |
|
AD43185 | 1.74 | 348.14 | C9H9O3NF3SBr | O=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br |
|
AD43186 | 3.05 | 300.38 | C16H16O2N2S | COc1cccc(C2(C(=O)Nc3ccc(S)cc3)CC2)n1 |
|
AD43187 | 3.2 | 311.37 | C16H13O2N3S | O=C(Nc1ccc(S)cc1)c1nc(Cc2ccccc2)no1 |
|
AD43188 | 2.12 | 325.37 | C17H19O2N5 | CC(C)(C)c1ccc(CC(=O)Nc2ncnc3[nH]c(=O)[nH]c23)cc1 |
|
AD43189 | 3.18 | 330.41 | C17H18O3N2S | O=C(Nc1ccc(S)cc1)c1cccc(OC2CCOCC2)n1 |
|
AD43190 | 2.03 | 323.38 | C17H19ON6 | CC(C)(C)c1ccc(CC(=O)n2c(N)c3c(nc2=N)[N]C=N3)cc1 |